N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine

C10H12Cl3NO — CID 58443683

IUPACN-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine
SMILESCONC(C)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3NO/c1-6(14-15-2)3-8-9(12)4-7(11)5-10(8)13/h4-6,14H,3H2,1-2H3
InChIKeyYEYSNJKFDGOAAP-UHFFFAOYSA-N
MW268.57 g/mol
LogP3.73
Rot. Bonds4

About N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine

N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine (PubChem CID 58443683) has the molecular formula C10H12Cl3NO and a molecular weight of 268.57 g/mol. Its IUPAC name is N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine
PubChem CID58443683
Molecular FormulaC10H12Cl3NO
Molecular Weight268.57 g/mol
Exact Mass267.00
IUPAC NameN-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine
SMILESCONC(C)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3NO/c1-6(14-15-2)3-8-9(12)4-7(11)5-10(8)13/h4-6,14H,3H2,1-2H3
InChIKeyYEYSNJKFDGOAAP-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.57
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine?
The IUPAC name of N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine (CID 58443683) is N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine.
What is the SMILES notation for N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine?
The canonical SMILES for N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine is CONC(C)Cc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine?
The InChIKey is YEYSNJKFDGOAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3NO/c1-6(14-15-2)3-8-9(12)4-7(11)5-10(8)13/h4-6,14H,3H2,1-2H3.
What are the key properties of N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine?
N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine has a molecular weight of 268.57 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine is sourced from PubChem (CID 58443683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).